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Home Aminos (2R)-2-amino-3-{[(methylsulfanyl)methyl]sulfanyl}propanoic acid

(2R)-2-amino-3-{[(methylsulfanyl)methyl]sulfanyl}propanoic acid

CAS No.:
56010-93-6
Catalog Number:
AG01ELFS
Molecular Formula:
C5H11NO2S2
Molecular Weight:
181.2763
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Product Description
Catalog Number:
AG01ELFS
Chemical Name:
(2R)-2-amino-3-{[(methylsulfanyl)methyl]sulfanyl}propanoic acid
CAS Number:
56010-93-6
Molecular Formula:
C5H11NO2S2
Molecular Weight:
181.2763
MDL Number:
MFCD30173713
IUPAC Name:
(2R)-2-amino-3-(methylsulfanylmethylsulfanyl)propanoic acid
InChI:
InChI=1S/C5H11NO2S2/c1-9-3-10-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChI Key:
VHYPETWOECSQQP-BYPYZUCNSA-N
SMILES:
CSCSC[C@@H](C(=O)O)N
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
181.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.268g/mol
Monoisotopic Mass:
181.023g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Literature
Title Journal
Precursors and formation of pyrithione and other pyridyl-containing sulfur compounds in drumstick onion, Allium stipitatum. Journal of agricultural and food chemistry 20110525
Properties